3-[(5-nitro-2-oxidanylidene-1,3-dihydroindol-6-yl)amino]butanoic acid

Systemtic Name: 3-[(5-nitro-2-oxidanylidene-1,3-dihydroindol-6-yl)amino]butanoic acid Openeye Name: 3-[(5-nitro-2-oxo-indolin-6-yl)amino]butanoic acid CAS Name: 3-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]butanoic acid IUPAC Name: 3-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]butanoic acid Traditional Name: 3-[(2-keto-5-nitro-indolin-6-yl)amino]butyric acid Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=C(C=C2CC(=O)NC2=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)NC1=C(C=C2CC(=O)NC2=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-6(2-12(17)18)13-9-5-8-7(4-11(16)14-8)3-10(9)15(19)20/h3,5-6,13H,2,4H2,1H3,(H,14,16)(H,17,18)